From 79c280a4a5522399434ca139ce1722c7b2a85593 Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Fri, 23 Jun 2023 19:18:06 -0400 Subject: [PATCH 1/2] docs: fix docs for fp_task_min The current documentation needs to be corrected. See also #596. --- dpgen/generator/arginfo.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/dpgen/generator/arginfo.py b/dpgen/generator/arginfo.py index 7ed784f46..cb89bd55d 100644 --- a/dpgen/generator/arginfo.py +++ b/dpgen/generator/arginfo.py @@ -848,13 +848,13 @@ def fp_style_variant_type_args() -> Variant: def fp_args() -> List[Argument]: - doc_fp_task_max = "Maximum number of structures to be calculated in each system in 02.fp of each iteration." - doc_fp_task_min = "Minimum number of structures to be calculated in each system in 02.fp of each iteration." + doc_fp_task_max = "Maximum number of structures to be calculated in each system in 02.fp of each iteration. If the number of structures exceeds `fp_task_max`, they will be randomly picked." + doc_fp_task_min = "Skip the training in the next iteration if the number of structures is no more than `fp_task_min`." doc_fp_accurate_threshold = "If the accurate ratio is larger than this number, no fp calculation will be performed, i.e. fp_task_max = 0." doc_fp_accurate_soft_threshold = "If the accurate ratio is between this number and fp_accurate_threshold, the fp_task_max linearly decays to zero." - doc_fp_cluster_vacuum = "If the vacuum size is smaller than this value, this cluster will not be choosen for labeling." + doc_fp_cluster_vacuum = "If the vacuum size is smaller than this value, this cluster will not be chosen for labeling." doc_detailed_report_make_fp = ( - "If set to true, detailed report will be generated for each iteration." + "If set to true, a detailed report will be generated for each iteration." ) doc_ratio_failed = "Check the ratio of unsuccessfully terminated jobs. If too many FP tasks are not converged, RuntimeError will be raised." From 07e771352ac8dcafe778cd4530f9f5486f8be87e Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Sat, 24 Jun 2023 21:53:01 -0400 Subject: [PATCH 2/2] Update dpgen/generator/arginfo.py Co-authored-by: Han Wang <92130845+wanghan-iapcm@users.noreply.github.com> Signed-off-by: Jinzhe Zeng --- dpgen/generator/arginfo.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/dpgen/generator/arginfo.py b/dpgen/generator/arginfo.py index cb89bd55d..674bcb577 100644 --- a/dpgen/generator/arginfo.py +++ b/dpgen/generator/arginfo.py @@ -848,7 +848,7 @@ def fp_style_variant_type_args() -> Variant: def fp_args() -> List[Argument]: - doc_fp_task_max = "Maximum number of structures to be calculated in each system in 02.fp of each iteration. If the number of structures exceeds `fp_task_max`, they will be randomly picked." + doc_fp_task_max = "Maximum number of structures to be calculated in each system in 02.fp of each iteration. If the number of candidate structures exceeds `fp_task_max`, `fp_task_max` structures will be randomly picked from the candidates and labeled." doc_fp_task_min = "Skip the training in the next iteration if the number of structures is no more than `fp_task_min`." doc_fp_accurate_threshold = "If the accurate ratio is larger than this number, no fp calculation will be performed, i.e. fp_task_max = 0." doc_fp_accurate_soft_threshold = "If the accurate ratio is between this number and fp_accurate_threshold, the fp_task_max linearly decays to zero."